HRID117901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID21100196

未命名化合物

结构：CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)O)C(F)(F)F

HCID21100306

5-(Methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

C11H11F3O5S

PRODUCTS

生成物

结构：CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(S(=O)(=O)c3cccnc3)s2)CC1)C(F)(F)F

HCID21100310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4178116d7d14e439fd19dee51371c9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:11])[OH:12])[cH:13]1.[ClH:21].[n:22]1[cH:23][c:24]([S:28](=[O:29])(=[O:30])[c:31]2[cH:32][n:33][c:34]([N:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[s:35]2)[cH:25][cH:26][cH:27]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:12])[N:39]2[CH2:38][CH2:37][N:36]([c:34]3[n:33][cH:32][c:31]([S:28]([c:24]4[cH:23][n:22][cH:27][cH:26][cH:25]4)(=[O:29])=[O:30])[s:35]3)[CH2:41][CH2:40]2)[cH:13]1